3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile

C15H23N5 — CID 80515860

IUPAC3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile
SMILESCN(CCCNc1nnccc1C#N)C1CCCCC1
InChIInChI=1S/C15H23N5/c1-20(14-6-3-2-4-7-14)11-5-9-17-15-13(12-16)8-10-18-19-15/h8,10,14H,2-7,9,11H2,1H3,(H,17,19)
InChIKeyVHMPGTANQHKHAW-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.41
Rot. Bonds6

About 3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile

3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile (PubChem CID 80515860) has the molecular formula C15H23N5 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile.

Molecular Properties

Compound Name3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile
PubChem CID80515860
Molecular FormulaC15H23N5
Molecular Weight273.38 g/mol
Exact Mass273.20
IUPAC Name3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile
SMILESCN(CCCNc1nnccc1C#N)C1CCCCC1
InChIInChI=1S/C15H23N5/c1-20(14-6-3-2-4-7-14)11-5-9-17-15-13(12-16)8-10-18-19-15/h8,10,14H,2-7,9,11H2,1H3,(H,17,19)
InChIKeyVHMPGTANQHKHAW-UHFFFAOYSA-N
XLogP2.41
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(3-chloro-2-pyridinyl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 54880422
3-[2-[di(propan-2-yl)amino]ethylamino]pyridazine-4-carbonitrile
CID 80509197
3-(3-methylsulfonylpropylamino)pyridazine-4-carbonitrile
CID 80510566
3-[3-(2-methylpropoxy)propylamino]pyridazine-4-carbonitrile
CID 114097998
N-(6-chloro-5-methoxypyrimidin-4-yl)-N'-cyclohexyl-N'-methylpropane-1,3-diamine
CID 106193011
7-[(4-cyanopyridazin-3-yl)amino]heptanoic acid
CID 80508044
2-[(4-cyanopyridazin-3-yl)amino]-N,N-dimethylethanesulfonamide
CID 106338532
3-[[2-(hydroxymethyl)cyclohexyl]methylamino]pyridazine-4-carbonitrile
CID 80509988
N'-cyclohexyl-N'-methyl-N-(6-methylpyridazin-3-yl)propane-1,3-diamine
CID 61313714
3-(3-phenoxypropylamino)pyridazine-4-carbonitrile
CID 80509509
3-[(3-methylcyclohexyl)methylamino]pyridazine-4-carbonitrile
CID 114130548
N'-cyclohexyl-N'-methyl-N-(3,5,6-trichloro-2-pyridinyl)propane-1,3-diamine
CID 106193002

Frequently Asked Questions

What is the IUPAC name of 3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile?
The IUPAC name of 3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile (CID 80515860) is 3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile.
What is the SMILES notation for 3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile?
The canonical SMILES for 3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile is CN(CCCNc1nnccc1C#N)C1CCCCC1.
What is the InChIKey of 3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile?
The InChIKey is VHMPGTANQHKHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5/c1-20(14-6-3-2-4-7-14)11-5-9-17-15-13(12-16)8-10-18-19-15/h8,10,14H,2-7,9,11H2,1H3,(H,17,19).
What are the key properties of 3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile?
3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile has a molecular weight of 273.38 g/mol, XLogP of 2.41, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[cyclohexyl(methyl)amino]propylamino]pyridazine-4-carbonitrile is sourced from PubChem (CID 80515860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).